![[13C] GA2 methyl ester TMS ether](/cid/42-035-6/13C-GA2-methyl-ester-TMS-ether.png "[13C] GA2 methyl ester TMS ether")
- InChI
- InChI=1S/C26H44O6Si2/c1-23(32-34(7,8)9)15-25-14-16(23)10-11-17(25)26-13-12-18(31-33(4,5)6)24(2,22(28)30-26)20(26)19(25)21(27)29-3/h16-20H,10-15H2,1-9H3/t16?,17-,18+,19-,20-,23-,24-,25-,26-/m0/s1
- InChI Key
- UNSOQWMOWIREFY-ZAQYTCEZSA-N
- Formula
- C26H44O6Si2
- SMILES
-
COC(=O)C1C2C3(CCC(O[Si](C)(C)C
)C2(C)C(=O)O3)C2CCC3CC12CC3(C) O[Si](C)(C)C - Molecular Weight1
- 508.80
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7024 | Relay (... Calculated Property | |
| ΔfG° | -450.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1315.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -3.97 | Relay (... Calculated Property | |
| logPoct/wat | 5.138 | Crippen Calculated Property | |
| Pc | 174.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2761.00 | NIST | |
| Tboil | 678.41 | K | Relay (... Calculated Property |
| Tc | 973.34 | K | Relay (... Calculated Property |
| Tfus | 369.81 | K | Relay (... Calculated Property |
| Vc | 1.553 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to [13C] GA2 methyl ester TMS ether.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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